N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-[3-(1H-pyrazol-1-yl)phenyl]piperidin-4-amine

• ChemBase ID: 657855
• Molecular Formular: C23H26N6
• Molecular Mass: 386.49274
• Monoisotopic Mass: 386.22189486
• SMILES: c12n(c(cn1)CNC1CCN(c3cc(n4nccc4)ccc3)CC1)cccc2C
• Canonical SMILES: Cc1cccn2c1ncc2CNC1CCN(CC1)c1cccc(c1)n1cccn1
• InChI: InChI=1S/C23H26N6/c1-18-5-3-11-28-22(17-25-23(18)28)16-24-19-8-13-27(14-9-19)20-6-2-7-21(15-20)29-12-4-10-26-29/h2-7,10-12,15,17,19,24H,8-9,13-14,16H2,1H3
• InChIKey: UCKJUUCBXUHDID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-[3-(1H-pyrazol-1-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-[3-(pyrazol-1-yl)phenyl]piperidin-4-amine
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[3-(1H-pyrazol-1-yl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6817877
• LogD (pH = 7.4): 1.105601
• Log P: 2.7550657
• Molar Refractivity: 118.4144 cm^3
• Polarizability: 44.729584 Å^3
• Polar Surface Area: 50.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.55
• LOG S: -4.04
• Polar Surface Area: 50.39 Å^2
• Rotatable Bonds: 5